[(1S)-2-oxidanylidene-1,2-diphenyl-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [(1S)-2-oxidanylidene-1,2-diphenyl-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [(1S)-2-oxo-1,2-diphenyl-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [(1S)-2-oxo-1,2-diphenylethyl] ester IUPAC Name: [(1S)-2-oxo-1,2-diphenylethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [(1S)-2-keto-1,2-diphenyl-ethyl] ester Formula: C28H18O6S MolecularWeight: 482.50392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C28H18O6S/c29-25(18-9-3-1-4-10-18)27(19-11-5-2-6-12-19)34-28(31)20-15-16-22-24(17-20)35(32,33)23-14-8-7-13-21(23)26(22)30/h1-17,27H/t27-/m0/s1